Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005730914 | Gold | 3 |
| CCMSLIB00005734925 | Gold | 3 |
| CCMSLIB00005735153 | Gold | 3 |
| CCMSLIB00005736332 | Gold | 3 |
| CCMSLIB00005735392 | Gold | 3 |
| CCMSLIB00005736595 | Gold | 3 |
| CCMSLIB00005732210 | Gold | 3 |
| CCMSLIB00005733814 | Gold | 3 |
| CCMSLIB00005730643 | Gold | 3 |
| CCMSLIB00005732917 | Gold | 3 |
| CCMSLIB00005730526 | Gold | 3 |
| CCMSLIB00011437819 | Gold | 3 |
| CCMSLIB00011428485 | Gold | 3 |
| CCMSLIB00011428486 | Gold | 3 |
| CCMSLIB00000570071 | Gold | 3 |
| CCMSLIB00000570262 | Gold | 3 |
| CCMSLIB00000566416 | Gold | 3 |
| CCMSLIB00000566457 | Gold | 3 |
| CCMSLIB00000566767 | Gold | 3 |
| CCMSLIB00000566699 | Gold | 3 |
| CCMSLIB00000566477 | Gold | 3 |
| CCMSLIB00000566975 | Gold | 3 |
| CCMSLIB00000567105 | Gold | 3 |
| CCMSLIB00000565905 | Gold | 3 |
| CCMSLIB00000566502 | Gold | 3 |
COMPOUND NPA028650
PROPERTIES
| NPAID | NPA028650 |
|---|---|
| CLUSTER ID | 50 |
| NODE ID | 46 |
| NAME | [(6Z)-Adda5]MC-RR |
| FORMULA | C49H75N13O12 |
| MOLECULAR WEIGHT (Da) | 1038.2180 |
| ACCURATE MASS (Da) | 1037.5658 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | viridis |
| InChIKey | JIGDOBKZMULDHS-SRKJTSIASA-N |
| InChI | InChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24-/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1 |
| SMILES | C=C1C(=O)N[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](/C=C/C(C)=C\[C@H](C)[C@H](CC2=CC=CC=C2)OC)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Harada K; Matsuura K; Suzuki M; Watanabe MF; Oishi S; Dahlem AM; Beasley VR; Carmichael WW Isolation and characterization of the minor components associated with microcystins LR and RR in the cyanobacterium (blue-green algae). Toxicon 1990 28 (1) 55-64. | ||
|---|---|---|---|
| DOI | 10.1016/0041-0101(90)90006-s | PMID | 2109908 |
